N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

C22H24N4O — CID 109327398

IUPACN-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)nc(NCc3ccccc3C)n2)cc1
InChIInChI=1S/C22H24N4O/c1-4-17-9-11-19(12-10-17)25-21(27)20-13-16(3)24-22(26-20)23-14-18-8-6-5-7-15(18)2/h5-13H,4,14H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyREQDSILZYPMSKJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.52
Rot. Bonds6

About N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109327398) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109327398
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)nc(NCc3ccccc3C)n2)cc1
InChIInChI=1S/C22H24N4O/c1-4-17-9-11-19(12-10-17)25-21(27)20-13-16(3)24-22(26-20)23-14-18-8-6-5-7-15(18)2/h5-13H,4,14H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyREQDSILZYPMSKJ-UHFFFAOYSA-N
XLogP4.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327405
N-(4-acetylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327430
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
N-(3-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327437
N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334736
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188308
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330945
N-(2-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327406
N-(2-ethylphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327829
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328470
2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321277

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109327398) is N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2cc(C)nc(NCc3ccccc3C)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is REQDSILZYPMSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-17-9-11-19(12-10-17)25-21(27)20-13-16(3)24-22(26-20)23-14-18-8-6-5-7-15(18)2/h5-13H,4,14H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109327398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).